SCHEMBL1801620

SCHEMBL1801620

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)c1ccno1)CC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
PARP1 P09874 1/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
NAMPT P43490 1/20 0.36
SCD5 Q86SK9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 2/20 0.34
F2RL1 P55085 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
MDM2 Q00987 1/20 0.33
GRM5 P41594 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1801988 0.86 CHRNA4 (0.36) CHRM2PARP1CHRNA4CHRNB2CHRNB4
SCHEMBL1801813 0.85 CYP2C9 (0.49) CHRM2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL1800768 0.84 KMT2A (0.43) SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL1800448 0.83 KMT2A (0.40) CHRM2MDM2
SCHEMBL2938492 0.83 CHRNA4 (0.41) CHRM2PARP1CHRNA4CHRNB2CHRNB4
SCHEMBL1800674 0.82 CYP2C9 (0.42) CHRM2PARP1SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL1801173 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL1800968 0.82 CYP3A4 (0.41) ALDH1A1CYP2C9
SCHEMBL1807036 0.82 NPC1 (0.46) CHRM2
SCHEMBL1809243 0.81 AVPR1A (0.50) CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CHRM2 3853/4885PARP1 340/4885CHRNA4 3953/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.